Crystallography Open Database

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4114594 CIFC357 H546 Cs0.92 N106.5 Na3.08 O108 Si16I 430.622; 30.622; 25.748
90; 90; 90
24144Alan Wong; James C. Fettinger; Scott L. Forman; Jeffery T. Davis; Gang Wu
The Sodium Ions Inside a Lipophilic G-Quadruplex Channel as Probed by Solid-State 23Na NMR
Journal of the American Chemical Society, 2002, 124, 742-743
4115611 CIFC176.38 H281 Ba N52 O59.5 Si8I 430.78; 30.78; 25.831
90; 90; 90
24473Xiaodong Shi; James C. Fettinger; Jeffery T. Davis
Homochiral G-Quadruplexes with Ba2+ but Not with K+: The Cation Programs Enantiomeric Self-Recognition
Journal of the American Chemical Society, 2001, 123, 6738-6739
4115919 CIFC44 H108 Cl8 N6 O33 V12I 419.3979; 19.3979; 11.3278
90; 90; 90
4262.41N. Kawanami; T. Ozeki; A. Yagasaki
NO-Anion Trapped in a Molecular Oxide Bowl
Journal of the American Chemical Society, 2000, 122, 1239-1240
4116422 CIF
HKL
C19 H25 N4 PI 419.913; 19.913; 9.269
90; 90; 90
3675.4Jean Michel Brunel; Olivier Legrand; Sébastien Reymond; Gérard Buono
First Iminodiazaphospholidines with a Stereogenic Phosphorus Center. Application to Asymmetric Copper-Catalyzed Cyclopropanation
Journal of the American Chemical Society, 1999, 121, 5807-5808
4117237 CIFC25 H45 Cs O22I 424.136; 24.136; 15.454
90; 90; 90
9003Ross S. Forgan; Ronald A. Smaldone; Jeremiah J. Gassensmith; Hiroyasu Furukawa; David B. Cordes; Qiaowei Li; Christopher E. Wilmer; Youssry Y. Botros; Randall Q. Snurr; Alexandra M. Z. Slawin; J. Fraser Stoddart
Nanoporous Carbohydrate Metal-Organic Frameworks
Journal of the American Chemical Society, 2012, 134, 406-417
4121495 CIFC22 H19 Br N O PI 427.175; 27.175; 5.2579
90; 90; 90
3882.9Mszar, Nicholas W.; Haeffner, Fredrik; Hoveyda, Amir H.
NHC-Cu-Catalyzed Addition of Propargylboron Reagents to Phosphinoylimines. Enantioselective Synthesis of Trimethylsilyl-Substituted Homoallenylamides and Application to the Synthesis of S-(-)-Cyclooroidin.
Journal of the American Chemical Society, 2014, 136, 3362-3365
4126469 CIFC6 H14 Cl NI 415.0567; 15.0567; 7.3781
90; 90; 90
1672.65Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.
Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.
Journal of the American Chemical Society, 2017
4130833 CIFC67.5 H55.5 Cl8.5 N5 O3.25 RhI 425.0036; 25.0036; 23.9683
90; 90; 90
14984.5Nakamura, Munechika; Kishimoto, Kazuki; Kobori, Yasuhiro; Abe, Tomoka; Yoza, Kenji; Kobayashi, Kenji
Self-Assembled Molecular Gear: A 4:1 Complex of Rh(III)Cl Tetraarylporphyrin and Tetra(p-pyridyl)cavitand.
Journal of the American Chemical Society, 2016, 138, 12564-12577
4132809 CIFC44 H28 N4 O TiI 413.3796; 13.3796; 9.7766
90; 90; 90
1750.15Yamabayashi, Tsutomu; Atzori, Matteo; Tesi, Lorenzo; Cosquer, Goulven; Santanni, Fabio; Boulon, Marie-Emmanuelle; Morra, Elena; Benci, Stefano; Torre, Renato; Chiesa, Mario; Sorace, Lorenzo; Sessoli, Roberta; Yamashita, Masahiro
Scaling Up Electronic Spin Qubits into a Three-Dimensional Metal-Organic Framework.
Journal of the American Chemical Society, 2018, 140, 12090-12101
4135264 CIFC356 H208 F168 N24 O64 Tb8I 430.7532; 30.7532; 23.0554
90; 90; 90
21804.9Tan, Yan Bing; Okayasu, Yoshinori; Katao, Shohei; Nishikawa, Yoshiko; Asanoma, Fumio; Yamada, Mihoko; Yuasa, Junpei; Kawai, Tsuyoshi
Visible Circularly Polarized Luminescence of Octanuclear Circular Eu(III) Helicate.
Journal of the American Chemical Society, 2020
4135265 CIFC356 H224 Eu8 F168 N24 O64I 430.7803; 30.7803; 23.1544
90; 90; 90
21937.1Tan, Yan Bing; Okayasu, Yoshinori; Katao, Shohei; Nishikawa, Yoshiko; Asanoma, Fumio; Yamada, Mihoko; Yuasa, Junpei; Kawai, Tsuyoshi
Visible Circularly Polarized Luminescence of Octanuclear Circular Eu(III) Helicate.
Journal of the American Chemical Society, 2020
4135267 CIFC356 H204 Eu8 F168 N24 O64I 430.7047; 30.7047; 23.1299
90; 90; 90
21806.4Tan, Yan Bing; Okayasu, Yoshinori; Katao, Shohei; Nishikawa, Yoshiko; Asanoma, Fumio; Yamada, Mihoko; Yuasa, Junpei; Kawai, Tsuyoshi
Visible Circularly Polarized Luminescence of Octanuclear Circular Eu(III) Helicate.
Journal of the American Chemical Society, 2020
4135268 CIFC356 H208 F168 N24 O64 Tb8I 430.7233; 30.7233; 23.0251
90; 90; 90
21733.9Tan, Yan Bing; Okayasu, Yoshinori; Katao, Shohei; Nishikawa, Yoshiko; Asanoma, Fumio; Yamada, Mihoko; Yuasa, Junpei; Kawai, Tsuyoshi
Visible Circularly Polarized Luminescence of Octanuclear Circular Eu(III) Helicate.
Journal of the American Chemical Society, 2020
4306373 CIFC28 H44 Pt2 S8I 416.927; 16.927; 6.085
90; 90; 90
1743.5Alejandro Guijarro; Óscar Castillo; Arrigo Calzolari; Pablo J. Sanz Miguel; Carlos J. Gómez-García; Rosa di Felice; Félix Zamora
Electrical Conductivity in Platinum-Dimer Columns
Inorganic Chemistry, 2008, 47, 9736-9738
4307087 CIFC84 H100 Cu4 N8 S4I 425.048; 25.048; 8.611
90; 90; 90
5403Eric C. Brown; Itsik Bar-Nahum; John T. York; Nermeen W. Aboelella; William B. Tolman
Ligand Structural Effects on Cu2S2 Bonding and Reactivity in Side-On Disulfido-Bridged Dicopper Complexes
Inorganic Chemistry, 2007, 46, 486-496
4311960 CIFC36 H64 Cl F24 K2 N8 O P4 ReI 417.098; 17.098; 9.673
90; 90; 90
2827.8Theresa I. Kückmann; Ulrich Abram
Rhenium(V) Oxo Complexes with N-Heterocyclic Carbenes
Inorganic Chemistry, 2004, 43, 7068-7074
4313720 CIFC88 H100 F18 N20 Ni5 O4 P3I 416.3605; 16.3605; 17.7836
90; 90; 90
4760.1John F. Berry; F. Albert Cotton; Peng Lei; Tongbu Lu; Carlos A. Murillo
Additional Steps toward Molecular Scale Wires: Further Study of Ni510/11+ Chains Embraced by Polypyridylamide Ligands
Inorganic Chemistry, 2003, 42, 3534-3539
4314852 CIFC86 H192 N8 O60 S W18I 441.803; 41.803; 15.7889
90; 90; 90
27591Jun Yan; De-Liang Long; Haralampos N. Miras; Leroy Cronin
Cation Controlled Assembly and Transformation of Mono- and Bi-Sulfite Templated Dawson-Type Polyoxotungstates
Inorganic Chemistry, 2010, 49, 1819-1825
4317440 CIFC72 H96 Cl10 Dy12 I2 N8 O94I 416.5767; 16.5767; 31.602
90; 90; 90
8684Ruiyao Wang; Hugh D. Selby; Hui Liu; Michael D. Carducci; Tianzhu Jin; Zhiping Zheng; Jeffery W. Anthis; Richard J. Staples
Halide-Templated Assembly of Polynuclear Lanthanide-Hydroxo Complexes
Inorganic Chemistry, 2002, 41, 278-286
4317441 CIFC72 H96 Cl10 Er12 I2 N8 O100I 416.355; 16.355; 31.026
90; 90; 90
8299Ruiyao Wang; Hugh D. Selby; Hui Liu; Michael D. Carducci; Tianzhu Jin; Zhiping Zheng; Jeffery W. Anthis; Richard J. Staples
Halide-Templated Assembly of Polynuclear Lanthanide-Hydroxo Complexes
Inorganic Chemistry, 2002, 41, 278-286
4320950 CIFC24.25 H28 N O2.25 P Re S2I 424; 24; 8.693
90; 90; 90
5007Berthold Nock; Theodosia Maina; Francesco Tisato; Minas Papadopoulos; Catherine P. Raptopoulou; Aris Terzis; Efstratios Chiotellis
Synthesis and Characterization of Six-Coordinate "3 + 2" Mixed-Ligand Oxorhenium Complexes with theo-Diphenylphosphinophenolato Ligand and Tridentate Coligands of Different N and S Donor Atom Combinations
Inorganic Chemistry, 2000, 39, 2178-2184
4322781 CIFC48 H34 N4 SiI 413.783; 13.783; 9.909
90; 90; 90
1882.4Jian-Yu Zheng; Katsuaki Konishi; Takuzo Aida
Crystallographic Studies of Organosilicon Porphyrins: Stereoelectronic Effects of Axial Groups on the Nonplanarity of the Porphyrin Ring
Inorganic Chemistry, 1998, 37, 2591-2594
4327218 CIFC22 H50 F18 Mn2 N6 O4 P3I 418.68; 18.68; 24.73
90; 90; 90
8629Vladimir B. Romakh; Bruno Therrien; Georg Süss-Fink; Georgiy B. Shul'pin
Dinuclear Manganese Complexes Containing Chiral 1,4,7-Triazacyclononane-Derived Ligands and Their Catalytic Potential for the Oxidation of Olefins, Alkanes, and Alcohols
Inorganic Chemistry, 2007, 46, 1315-1331
4335731 CIFC18 H3 Br F26I 429.5335; 29.5335; 5.5624
90; 90; 90
4851.7Subrata K. Ghosh; Ann Sullivan Ojeda; Juan Guerrero-Leal; Nattamai Bhuvanesh; John A. Gladysz
New Media for Classical Coordination Chemistry: Phase Transfer of Werner and Related Polycations into Highly Nonpolar Fluorous Solvents
Inorganic Chemistry, 2013, 52, 9369-9378
4341378 CIFC80 H108 Br5 F6 N8 Ni4 O2 PI 416.8162; 16.8162; 31.4122
90; 90; 90
8882.9Zhou, You-Yun; Hartline, Douglas R.; Steiman, Talia J.; Fanwick, Phillip E.; Uyeda, Christopher
Dinuclear nickel complexes in five States of oxidation using a redox-active ligand.
Inorganic chemistry, 2014, 53, 11770-11777
4341385 CIFC44 H28 Cl Fe N4I 413.5374; 13.5374; 9.8247
90; 90; 90
1800.49Hunter, Seth C.; Smith, Brenda A.; Hoffmann, Christina M.; Wang, Xiaoping; Chen, Yu-Sheng; McIntyre, Garry J.; Xue, Zi-Ling
Intermolecular interactions in solid-state metalloporphyrins and their impacts on crystal and molecular structures.
Inorganic chemistry, 2014, 53, 11552-11562
4341386 CIFC44 H28 Cl Fe N4I 413.504; 13.504; 9.731
90; 90; 90
1774.5Hunter, Seth C.; Smith, Brenda A.; Hoffmann, Christina M.; Wang, Xiaoping; Chen, Yu-Sheng; McIntyre, Garry J.; Xue, Zi-Ling
Intermolecular interactions in solid-state metalloporphyrins and their impacts on crystal and molecular structures.
Inorganic chemistry, 2014, 53, 11552-11562
4341387 CIFC44 H28 Cl Fe N4I 413.483; 13.483; 9.6849
90; 90; 90
1760.63Hunter, Seth C.; Smith, Brenda A.; Hoffmann, Christina M.; Wang, Xiaoping; Chen, Yu-Sheng; McIntyre, Garry J.; Xue, Zi-Ling
Intermolecular interactions in solid-state metalloporphyrins and their impacts on crystal and molecular structures.
Inorganic chemistry, 2014, 53, 11552-11562
4341388 CIFC44 H28 Cl Fe N4I 413.4761; 13.4761; 9.6889
90; 90; 90
1759.56Hunter, Seth C.; Smith, Brenda A.; Hoffmann, Christina M.; Wang, Xiaoping; Chen, Yu-Sheng; McIntyre, Garry J.; Xue, Zi-Ling
Intermolecular interactions in solid-state metalloporphyrins and their impacts on crystal and molecular structures.
Inorganic chemistry, 2014, 53, 11552-11562
4347958 CIFC66 H90 N6 O4 TbI 418.4142; 18.4142; 10.3199
90; 90; 90
3499.3Nakai, Hidetaka; Seo, Juncheol; Kitagawa, Kazuhiro; Goto, Takahiro; Nonaka, Kyoshiro; Matsumoto, Takahiro; Ogo, Seiji
Control of Lanthanide Coordination Environment: Synthesis, Structure, and Oxygen-Sensitive Luminescence Properties of an Eight-Coordinate Tb(III) Complex.
Inorganic chemistry, 2016, 55, 6609-6615
4349403 CIFC63 H64 Ag3 F9 N8 O9 P8 S3 Se4I 434.422; 34.422; 15.4107
90; 90; 90
18259.7Yogendra, Sivathmeehan; Hennersdorf, Felix; Weigand, Jan J.
Nitrogen-Phosphorus(III)-Chalcogen Macrocycles for the Synthesis of Polynuclear Silver(I) Sandwich Complexes.
Inorganic chemistry, 2017, 56, 8698-8704
4500754 CIFC86 H192 Bi N8 O60 W18I 442.0448; 42.0448; 15.6967
90; 90; 90
27748.1McGlone, Thomas; Streb, Carsten; Busquets-Fité, Martí; Yan, Jun; Gabb, David; Long, De-Liang; Cronin, Leroy
Silver Linked Polyoxometalate Open Frameworks (Ag-POMOFs) for the Directed Fabrication of Silver Nanomaterials
Crystal Growth & Design, 2011, 11, 2471
4504785 CIFC44 H30 Cl Mn N4 O5I 413.9892; 13.9892; 9.384
90; 90; 90
1836.43George, Sumod; Goldberg, Israel
Self-Assembly of Supramolecular Porphyrin Arrays by Hydrogen Bonding: New Structures and Reflections
Crystal Growth & Design, 2006, 6, 755
4509785 CIFC120 H200 O76 U8I 417.9223; 17.9223; 33.2705
90; 90; 90
10686.8Thuéry, Pierre
A Nanosized Uranyl Camphorate Cage and its Use as a Building Unit in a Metal−Organic Framework
Crystal Growth & Design, 2009, 9, 4592
4509786 CIFC120 H224 Ba4 O92 U8I 417.7501; 17.7501; 33.4349
90; 90; 90
10534.2Thuéry, Pierre
A Nanosized Uranyl Camphorate Cage and its Use as a Building Unit in a Metal−Organic Framework
Crystal Growth & Design, 2009, 9, 4592
4510506 CIFC96 H170 Cu4 O89 U8I 424.227; 24.227; 15.9191
90; 90; 90
9343.7Thuéry, Pierre
Increasing Complexity in the Uranyl Ion‒Kemp’s Triacid System: From One- and Two-Dimensional Polymers to Uranyl‒Copper(II) Dodeca- and Hexadecanuclear Species
Crystal Growth & Design, 2014, 14, 2665
4515769 CIFC67.84 H95.68 Bi N4 O17.96 Rh S4I 422.2169; 22.2169; 10.9063
90; 90; 90
5383.2Ren, Zhi; Sunderland, Travis L.; Tortoreto, Cecilia; Yang, Tzuhsiung; Berry, John F.; Musaev, Djamaladdin G.; Davies, Huw M. L.
Comparison of Reactivity and Enantioselectivity between Chiral Bimetallic Catalysts: Bismuth‒Rhodium- and Dirhodium-Catalyzed Carbene Chemistry
ACS Catalysis, 2018, 8, 10676
6000547 CIFBr Cl14 P3I 48.739; 8.739; 12.32
90; 90; 90
940.88Gates, P. N.; Knachel, H. C.; Finch, A.; Fratini, A. V.; Fitch, A. N.; Nardone, O.; Otto, J. C.; Snider, D. A.
Single-crystal and high-resolution X-ray-diffraction studies and Raman-spectrum of a phosphorus(V) chloride complex containing a single bromide ion, P~3~Cl~14~Br
Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999), 1995, 2719-2722
6000669 CIFC8 H24 Ge4 Mn N2 S10I 49.5058; 9.5058; 14.19
90; 90; 90
1282.21Achak, O.; Pivan, J. Y.; Maunaye, M.; Louer, M.; Louer, D.
The ab-initio structure determination of [(CH3)(4)N]2GE4MNS10 from X-ray-powder diffraction data
Journal of Alloys and Compounds, 1995, 219, 111-115
7010352 CIFC8 H16 Cu I S4I 48.905; 8.905; 8.331
90; 90; 90
660.6Brooks, Neil R.; Blake, Alexander J.; Champness, Neil R.; Cooke, Paul A.; Hubberstey, Peter; Proserpio, Davide M.; Wilson, Claire; Schröder, Martin
Discrete molecular and extended polymeric copper(I) halide complexes of tetradentate thioether macrocycles
Journal of the Chemical Society, Dalton Transactions, 2001, 456
7010353 CIFC8 H16 Br Cu S4I 48.7331; 8.7331; 8.251
90; 90; 90
629.28Brooks, Neil R.; Blake, Alexander J.; Champness, Neil R.; Cooke, Paul A.; Hubberstey, Peter; Proserpio, Davide M.; Wilson, Claire; Schröder, Martin
Discrete molecular and extended polymeric copper(I) halide complexes of tetradentate thioether macrocycles
Journal of the Chemical Society, Dalton Transactions, 2001, 456
7010848 CIFC136 H92 Co N4I 420.399; 20.399; 12.0635
90; 90; 90
5019.9Ishii, Tomohiko; Kanehama, Ryo; Aizawa, Naoko; Yamashita, Masahiro; Matsuzaka, Hiroyuki; Sugiura, Ken-ichi; Miyasaka, Hitoshi; Kodama, Takeshi; Kikuchi, Kouichi; Ikemoto, Isao; Tanaka, Hisaaki; Marumoto, Kazuhiro; Kuroda, Shin-Ichi
Fullerene C60 exhibiting a strong intermolecular interaction in a cocrystallite with C4 symmetrical cobalt tetrakis(di-tert-butylphenyl)porphyrin
Journal of the Chemical Society, Dalton Transactions, 2001, 2975
7010849 CIFC136 H92 Co N4I 419.9711; 19.9711; 11.997
90; 90; 90
4784.94Ishii, Tomohiko; Kanehama, Ryo; Aizawa, Naoko; Yamashita, Masahiro; Matsuzaka, Hiroyuki; Sugiura, Ken-ichi; Miyasaka, Hitoshi; Kodama, Takeshi; Kikuchi, Kouichi; Ikemoto, Isao; Tanaka, Hisaaki; Marumoto, Kazuhiro; Kuroda, Shin-Ichi
Fullerene C60 exhibiting a strong intermolecular interaction in a cocrystallite with C4 symmetrical cobalt tetrakis(di-tert-butylphenyl)porphyrin
Journal of the Chemical Society, Dalton Transactions, 2001, 2975
7012634 CIFC41 H70 Cl5 Cu6 N8 Na O38I 413.708; 13.708; 18.078
90; 90; 90
3397Li-Yan Wang; Satoshi Igarashi; Yasuhiko Yukawa; Yoshimasa Hoshino; Olivier Roubeau; Guillem Aromí; Richard E. P. Winpenny
Synthesis, structure, and preliminary magnetic studies of unprecedented hexacopper(II) barrel clusters with spin ground state S= 3
Dalton Trans., 2003, 2318-2324
7017136 CIFC198 H200 Er9 N O42I 421.708; 21.708; 25.682
90; 90; 90
12102Andrews, Philip C.; Gee, William J.; Junk, Peter C.; Maclellan, Jonathan G.
Systematic study of the formation of the lanthanoid cubane cluster motif mediated by steric modification of diketonate ligands.
Dalton transactions (Cambridge, England : 2003), 2011, 40, 12169-12179
7018477 CIFC106.25 H96.75 Co4 N11.25 O23.75I 431.9819; 31.9819; 25.3323
90; 90; 90
25910.9Mehlana, Gift; Bourne, Susan A.; Ramon, Gaëlle
A new class of thermo- and solvatochromic metal-organic frameworks based on 4-(pyridin-4-yl)benzoic acid.
Dalton transactions (Cambridge, England : 2003), 2012, 41, 4224-4231
7018478 CIFC108.8 H98.7 N11.6 Ni4 O22.35I 431.8199; 31.8199; 25.1149
90; 90; 90
25429Mehlana, Gift; Bourne, Susan A.; Ramon, Gaëlle
A new class of thermo- and solvatochromic metal-organic frameworks based on 4-(pyridin-4-yl)benzoic acid.
Dalton transactions (Cambridge, England : 2003), 2012, 41, 4224-4231
7021481 CIFC31 H63 B Cl4 Cu3 Mo N8 O0.5 S3I 427.8478; 27.8478; 11.971
90; 90; 90
9283.5Zhang, Zhi-Yuan; Gong, Wei-Jie; Wang, Fan; Chen, Min-Min; Zhou, Li-Kuan; Ren, Zhi-Gang; Sun, Zhen-Rong; Lang, Jian-Ping
Assembly of new Mo/Cu/S clusters from [Et4N][Tp*MoS(S4)] and Cu(i) salts: syntheses, structures and third-order nonlinear optical properties.
Dalton transactions (Cambridge, England : 2003), 2013, 42, 9495-9504
7024961 CIFC38 H38 N4 O4 S2 ZrI 420.7957; 20.7957; 17.2989
90; 90; 90
7481.1Zi, Guofu; Zhang, Furen; Xiang, Li; Chen, Yue; Fang, Weihai; Song, Haibin
Synthesis and characterization of group 4 metal amides with new C2-symmetric binaphthyldiamine-based ligands and their use as catalysts for asymmetric hydroamination/cyclization.
Dalton transactions (Cambridge, England : 2003), 2010, 39, 4048-4061
7028328 CIFC224 H112 N16 O16 YI 421.5507; 21.5507; 22.5192
90; 90; 90
10458.7Zhou, Hang; Wang, Kang; Qi, Dongdong; Jiang, Jianzhuang
Chiral bis(phthalocyaninato) yttrium double-decker complexes. Synthesis, structure, spectroscopy, and electrochemistry.
Dalton transactions (Cambridge, England : 2003), 2014, 43, 1699-1705

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